SCHEMBL6820910

SCHEMBL6820910

Cc1nc(Cc2ccccc2)c(C=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 1/20 0.39
PARP1 P09874 2/20 0.38
AR P10275 1/20 0.38
HTR2C P28335 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ADORA1 P30542 1/20 0.38
RNASEH1 O60930 1/20 0.37
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7466369 0.80 TYMP (0.41) ALDH1A1HPGDKDM4EKMT2ADAO
SCHEMBL2943501 0.79 LTB4R (0.62) LTB4RALDH1A1HPGDGAAKDM4E
Hydrochloric Acid SCHEMBL28305301 0.77 LTB4R (0.61) LTB4RALDH1A1HPGDGAAKDM4E
SCHEMBL15515881 0.77 LTB4R (0.47) LTB4RALDH1A1HPGDGAAKDM4E
SCHEMBL28647090 0.75 LTB4R (0.49) LTB4RALDH1A1HPGDGAAKDM4E
SCHEMBL6600284 0.74 LMNA (0.45) LTB4RALDH1A1HPGDGAAKDM4E
SCHEMBL11116236 0.73 LTB4R (0.44) LTB4RALDH1A1GAAHSD17B10KMT2A
SCHEMBL27653924 0.72 KDM4E (0.58) ALDH1A1HPGDKDM4EHSD17B10PARP1
SCHEMBL11121501 0.70 LTB4R (0.51) LTB4RALDH1A1HPGDGAAKDM4E
SCHEMBL6601040 0.69 ALDH1A1 (0.51) LTB4RALDH1A1GAAHTTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020512-A9 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-05-06 WO disclosed
EP-1351958-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION AstraZeneca AB (SE) 2003-10-15 EP disclosed
WO-2002020512-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2002-03-14 WO disclosed